3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide

C14H15F3N2O2 — CID 51318010

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c1-8-5-11(8)13(21)19-10-4-2-3-9(6-10)12(20)18-7-14(15,16)17/h2-4,6,8,11H,5,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyKGMZXKHUEYNUEU-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.57
Rot. Bonds4

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide

3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51318010) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51318010
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O2/c1-8-5-11(8)13(21)19-10-4-2-3-9(6-10)12(20)18-7-14(15,16)17/h2-4,6,8,11H,5,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyKGMZXKHUEYNUEU-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111480659
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide
CID 18140060
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 51318010) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide is CC1CC1C(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KGMZXKHUEYNUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-8-5-11(8)13(21)19-10-4-2-3-9(6-10)12(20)18-7-14(15,16)17/h2-4,6,8,11H,5,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 300.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51318010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).